QT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| O32 | C31 | doub | 1.22Å | 1.21Å | |
| N14 | C15 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C31 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | N9 | sing | 1.35Å | 1.33Å | |
| C15 | N16 | sing | 1.38Å | 1.38Å | |
| C15 | N30 | doub | 1.33Å | 1.34Å | Aromatic |
| N16 | C17 | sing | 1.40Å | 1.41Å | |
| C11 | N30 | sing | 1.33Å | 1.33Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.37Å | |
| N9 | C8 | sing | 1.40Å | 1.42Å | |
| N9 | N10 | sing | 1.40Å | 1.43Å | |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C33 | sing | 1.39Å | 1.37Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | N38 | doub | 1.32Å | 1.33Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| N38 | C37 | sing | 1.32Å | 1.32Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N23 | sing | 1.40Å | 1.42Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | C39 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| N23 | C24 | sing | 1.47Å | 1.49Å | |
| N23 | C29 | sing | 1.47Å | 1.48Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | O42 | sing | 1.43Å | 1.44Å | |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C25 | N26 | sing | 1.47Å | 1.48Å | |
| C28 | N26 | sing | 1.47Å | 1.48Å | |
| N26 | C27 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| O42 | H22 | sing | 0.97Å | 0.95Å | |
| C13 | H23 | sing | 1.08Å | 1.08Å | |
| N16 | H24 | sing | 0.97Å | 1.00Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | C12 | 117.7° | 118.7° |
| C13 | N14 | C15 | 121.0° | 121.1° |
| N14 | C13 | H23 | 121.2° | 120.7° |
| C13 | C12 | C31 | 133.4° | 134.6° |
| C13 | C12 | C11 | 119.3° | 118.8° |
| C12 | C13 | H23 | 121.1° | 120.6° |
| O32 | C31 | C12 | 128.8° | 126.5° |
| O32 | C31 | N9 | 123.8° | 126.5° |
| N14 | C15 | N16 | 116.7° | 118.9° |
| N14 | C15 | N30 | 123.3° | 122.3° |
| C31 | C12 | C11 | 106.6° | 106.6° |
| C12 | C31 | N9 | 107.4° | 107.0° |
| C12 | C11 | N30 | 119.2° | 118.7° |
| C12 | C11 | N10 | 107.6° | 107.3° |
| C31 | N9 | C8 | 119.6° | 125.2° |
| C31 | N9 | N10 | 109.0° | 109.5° |
| N16 | C15 | N30 | 120.0° | 118.8° |
| C15 | N16 | C17 | 125.9° | 120.0° |
| C15 | N16 | H24 | 117.1° | 120.0° |
| C15 | N30 | C11 | 118.3° | 120.5° |
| N16 | C17 | C22 | 114.5° | 120.0° |
| N16 | C17 | C18 | 125.9° | 120.0° |
| C17 | N16 | H24 | 117.0° | 120.0° |
| N30 | C11 | N10 | 131.7° | 134.0° |
| C11 | N10 | N9 | 108.7° | 109.6° |
| C11 | N10 | C33 | 124.1° | 125.2° |
| C8 | N9 | N10 | 131.4° | 125.3° |
| N9 | C8 | C3 | 114.8° | 120.1° |
| N9 | C8 | C7 | 122.7° | 120.1° |
| N9 | N10 | C33 | 126.4° | 125.2° |
| C1 | O2 | C3 | 120.2° | 116.9° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| O2 | C3 | C8 | 115.8° | 120.0° |
| O2 | C3 | C4 | 123.1° | 120.1° |
| C3 | C8 | C7 | 121.4° | 119.8° |
| C8 | C3 | C4 | 120.9° | 119.9° |
| C8 | C7 | C6 | 118.0° | 120.0° |
| C8 | C7 | H7 | 121.0° | 120.0° |
| C3 | C4 | C5 | 117.4° | 120.0° |
| C3 | C4 | H4 | 121.3° | 120.0° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C7 | C6 | H6 | 119.8° | 119.9° |
| C6 | C7 | H7 | 121.0° | 120.0° |
| C22 | C17 | C18 | 119.6° | 120.0° |
| C17 | C22 | C21 | 119.2° | 120.0° |
| C17 | C22 | H25 | 120.4° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C17 | C18 | H8 | 119.9° | 120.0° |
| C22 | C21 | C20 | 122.0° | 120.0° |
| C22 | C21 | H10 | 119.0° | 120.0° |
| C21 | C22 | H25 | 120.4° | 119.9° |
| C4 | C5 | C6 | 121.5° | 120.2° |
| C5 | C4 | H4 | 121.3° | 120.0° |
| C4 | C5 | H5 | 119.3° | 119.9° |
| C6 | C5 | H5 | 119.3° | 119.9° |
| C5 | C6 | H6 | 119.8° | 119.9° |
| N10 | C33 | N38 | 115.6° | 119.7° |
| N10 | C33 | C34 | 123.2° | 119.7° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H8 | 119.9° | 120.0° |
| C18 | C19 | H9 | 119.9° | 120.1° |
| C21 | C20 | C19 | 118.8° | 120.0° |
| C21 | C20 | N23 | 118.1° | 120.0° |
| C20 | C21 | H10 | 119.0° | 120.0° |
| N38 | C33 | C34 | 121.1° | 120.6° |
| C33 | N38 | C37 | 122.5° | 121.6° |
| C33 | C34 | C35 | 118.0° | 119.1° |
| C33 | C34 | H16 | 121.0° | 120.5° |
| N38 | C37 | C39 | 117.3° | 119.6° |
| N38 | C37 | C36 | 119.5° | 120.8° |
| C19 | C20 | N23 | 123.1° | 120.0° |
| C20 | C19 | H9 | 119.9° | 120.0° |
| C20 | N23 | C24 | 113.6° | 111.0° |
| C20 | N23 | C29 | 118.7° | 111.0° |
| C34 | C35 | C36 | 119.1° | 118.5° |
| C35 | C34 | H16 | 121.0° | 120.4° |
| C34 | C35 | H17 | 120.5° | 120.8° |
| C40 | C39 | C37 | 109.4° | 109.4° |
| C40 | C39 | C41 | 109.9° | 109.5° |
| C40 | C39 | O42 | 110.4° | 109.5° |
| C39 | C40 | H19 | 109.5° | 109.5° |
| C39 | C40 | H20 | 109.5° | 109.4° |
| C39 | C40 | H21 | 109.5° | 109.5° |
| C39 | C37 | C36 | 123.2° | 119.6° |
| C37 | C39 | C41 | 109.9° | 109.5° |
| C37 | C39 | O42 | 112.0° | 109.5° |
| C37 | C36 | C35 | 119.7° | 119.4° |
| C37 | C36 | H18 | 120.2° | 120.3° |
| C24 | N23 | C29 | 113.6° | 110.9° |
| N23 | C24 | C25 | 108.3° | 109.4° |
| N23 | C24 | H11 | 109.8° | 109.5° |
| N23 | C24 | H12 | 109.8° | 109.6° |
| N23 | C29 | C28 | 110.4° | 109.4° |
| N23 | C29 | H31 | 109.2° | 109.5° |
| N23 | C29 | H32 | 109.2° | 109.5° |
| C41 | C39 | O42 | 105.1° | 109.5° |
| C39 | C41 | H33 | 109.5° | 109.4° |
| C39 | C41 | H34 | 109.5° | 109.5° |
| C39 | C41 | H35 | 109.4° | 109.5° |
| C39 | O42 | H22 | 109.5° | 114.0° |
| C36 | C35 | H17 | 120.4° | 120.7° |
| C35 | C36 | H18 | 120.1° | 120.3° |
| C24 | C25 | N26 | 108.0° | 109.4° |
| C25 | C24 | H11 | 109.7° | 109.4° |
| C25 | C24 | H12 | 109.7° | 109.5° |
| C24 | C25 | H26 | 109.9° | 109.5° |
| C24 | C25 | H27 | 109.8° | 109.4° |
| C29 | C28 | N26 | 112.6° | 109.4° |
| C29 | C28 | H29 | 108.7° | 109.5° |
| C29 | C28 | H30 | 108.7° | 109.5° |
| C28 | C29 | H31 | 109.2° | 109.5° |
| C28 | C29 | H32 | 109.2° | 109.5° |
| C25 | N26 | C28 | 115.6° | 110.9° |
| C25 | N26 | C27 | 110.3° | 111.0° |
| N26 | C25 | H26 | 109.8° | 109.5° |
| N26 | C25 | H27 | 109.8° | 109.5° |
| C28 | N26 | C27 | 110.4° | 111.0° |
| N26 | C28 | H29 | 108.7° | 109.5° |
| N26 | C28 | H30 | 108.7° | 109.5° |
| N26 | C27 | H13 | 109.5° | 109.5° |
| N26 | C27 | H14 | 109.5° | 109.5° |
| N26 | C27 | H15 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H13 | C27 | H15 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.4° | 109.5° |
| H19 | C40 | H20 | 109.4° | 109.5° |
| H19 | C40 | H21 | 109.5° | 109.5° |
| H20 | C40 | H21 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.4° | 109.4° |
| H33 | C41 | H35 | 109.5° | 109.5° |
| H34 | C41 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | C12 | H23 | 180.0° | 180.0° |
| N14 | C13 | C12 | C31 | 175.9° | 179.9° |
| N14 | C13 | C12 | C11 | 7.7° | 0.3° |
| C13 | N14 | C15 | N16 | 177.8° | 179.9° |
| C13 | N14 | C15 | N30 | 2.5° | 0.3° |
| C13 | C12 | C31 | O32 | 4.5° | 0.2° |
| C12 | C13 | N14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C31 | C11 | 169.3° | 179.8° |
| C13 | C12 | C31 | N9 | 173.9° | 179.9° |
| C13 | C12 | C11 | N30 | 13.0° | 0.2° |
| C13 | C12 | C11 | N10 | 179.5° | 179.8° |
| O32 | C31 | C12 | N9 | 178.4° | 179.7° |
| O32 | C31 | C12 | C11 | 173.9° | 179.9° |
| O32 | C31 | N9 | C8 | 1.4° | 0.3° |
| O32 | C31 | N9 | N10 | 179.4° | 179.9° |
| N14 | C15 | N16 | N30 | 179.7° | 179.7° |
| N14 | C15 | N16 | C17 | 171.0° | 6.0° |
| N14 | C15 | N30 | C11 | 2.9° | 0.3° |
| C15 | N14 | C13 | H23 | 179.9° | 180.0° |
| N14 | C15 | N16 | H24 | 9.0° | 174.1° |
| C31 | C12 | C11 | N30 | 175.8° | 180.0° |
| C31 | C12 | C11 | N10 | 8.3° | 0.0° |
| C12 | C31 | N9 | C8 | 177.0° | 180.0° |
| C12 | C31 | N9 | N10 | 0.9° | 0.4° |
| C31 | C12 | C13 | H23 | 4.0° | 0.0° |
| C11 | C12 | C31 | N9 | 4.5° | 0.2° |
| C12 | C11 | N30 | C15 | 10.4° | 0.1° |
| C12 | C11 | N30 | N10 | 164.0° | 180.0° |
| C12 | C11 | N10 | N9 | 9.0° | 0.3° |
| C12 | C11 | N10 | C33 | 161.3° | 180.0° |
| C11 | C12 | C13 | H23 | 172.3° | 179.8° |
| C31 | N9 | N10 | C11 | 6.3° | 0.4° |
| C31 | N9 | C8 | N10 | 177.4° | 179.6° |
| C31 | N9 | C8 | C3 | 74.2° | 95.1° |
| C31 | N9 | C8 | C7 | 94.1° | 85.0° |
| C31 | N9 | N10 | C33 | 163.8° | 179.8° |
| C15 | N16 | C17 | H24 | 180.0° | 180.0° |
| N16 | C15 | N30 | C11 | 176.8° | 180.0° |
| C15 | N16 | C17 | C22 | 165.4° | 34.7° |
| C15 | N16 | C17 | C18 | 16.5° | 145.5° |
| N30 | C15 | N16 | C17 | 9.2° | 174.4° |
| C15 | N30 | C11 | N10 | 174.4° | 179.9° |
| N30 | C15 | N16 | H24 | 170.7° | 5.6° |
| N16 | C17 | C22 | C18 | 178.2° | 179.8° |
| N16 | C17 | C22 | C21 | 178.3° | 179.7° |
| N16 | C17 | C18 | C19 | 179.8° | 179.7° |
| N16 | C17 | C18 | H8 | 0.2° | 0.2° |
| N16 | C17 | C22 | H25 | 1.6° | 0.3° |
| N30 | C11 | N10 | N9 | 174.4° | 179.7° |
| N30 | C11 | N10 | C33 | 4.0° | 0.0° |
| C11 | N10 | N9 | C8 | 171.4° | 180.0° |
| C11 | N10 | N9 | C33 | 170.0° | 179.7° |
| C11 | N10 | C33 | N38 | 149.2° | 85.0° |
| C11 | N10 | C33 | C34 | 28.0° | 94.7° |
| N9 | C8 | C3 | O2 | 10.1° | 0.3° |
| N9 | C8 | C3 | C7 | 168.5° | 180.0° |
| N9 | C8 | C3 | C4 | 176.0° | 180.0° |
| N9 | C8 | C7 | C6 | 175.1° | 180.0° |
| C8 | N9 | N10 | C33 | 18.6° | 0.2° |
| N9 | C8 | C7 | H7 | 4.9° | 0.0° |
| N10 | N9 | C8 | C3 | 103.3° | 85.4° |
| N10 | N9 | C8 | C7 | 88.5° | 94.6° |
| N9 | N10 | C33 | N38 | 19.4° | 94.7° |
| N9 | N10 | C33 | C34 | 163.4° | 85.6° |
| C1 | O2 | C3 | C8 | 179.3° | 179.7° |
| C1 | O2 | C3 | C4 | 6.9° | 0.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.1° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O2 | C3 | C8 | C4 | 174.0° | 179.7° |
| O2 | C3 | C8 | C7 | 178.5° | 179.7° |
| O2 | C3 | C4 | C5 | 175.8° | 179.8° |
| C3 | O2 | C1 | H1 | 180.0° | 60.1° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | C4 | H4 | 4.2° | 0.3° |
| C3 | C8 | C7 | C6 | 7.6° | 0.0° |
| C8 | C3 | C4 | C5 | 2.3° | 0.1° |
| C8 | C3 | C4 | H4 | 177.7° | 180.0° |
| C3 | C8 | C7 | H7 | 172.4° | 180.0° |
| C7 | C8 | C3 | C4 | 7.5° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.7° | 0.0° |
| C8 | C7 | C6 | H6 | 177.3° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.5° | 0.0° |
| C3 | C4 | C5 | H5 | 177.5° | 180.0° |
| C7 | C6 | C5 | C4 | 2.3° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 177.7° | 180.0° |
| C17 | C22 | C21 | H25 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 1.8° | 0.0° |
| C17 | C22 | C21 | C20 | 1.0° | 0.0° |
| C22 | C17 | C18 | H8 | 178.2° | 179.9° |
| C17 | C22 | C21 | H10 | 179.0° | 180.0° |
| C22 | C17 | N16 | H24 | 14.6° | 145.2° |
| C18 | C17 | C22 | C21 | 0.1° | 0.0° |
| C17 | C18 | C19 | H8 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.5° | 0.0° |
| C17 | C18 | C19 | H9 | 177.5° | 179.9° |
| C18 | C17 | N16 | H24 | 163.5° | 34.5° |
| C18 | C17 | C22 | H25 | 179.9° | 180.0° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C22 | C21 | C20 | N23 | 179.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 177.7° | 180.0° |
| C6 | C5 | C4 | H4 | 177.5° | 180.0° |
| C5 | C6 | C7 | H7 | 177.2° | 180.0° |
| N10 | C33 | N38 | C34 | 177.3° | 179.7° |
| N10 | C33 | N38 | C37 | 178.2° | 179.7° |
| N10 | C33 | C34 | C35 | 176.1° | 180.0° |
| N10 | C33 | C34 | H16 | 3.9° | 0.1° |
| C18 | C19 | C20 | C21 | 1.5° | 0.0° |
| C18 | C19 | C20 | H9 | 180.0° | 179.9° |
| C18 | C19 | C20 | N23 | 179.3° | 180.0° |
| C21 | C20 | C19 | N23 | 179.2° | 180.0° |
| C21 | C20 | N23 | C24 | 40.7° | 0.0° |
| C21 | C20 | N23 | C29 | 178.1° | 123.8° |
| C21 | C20 | C19 | H9 | 178.5° | 180.0° |
| C20 | C21 | C22 | H25 | 179.1° | 180.0° |
| N38 | C33 | C34 | C35 | 0.9° | 0.3° |
| C33 | N38 | C37 | C39 | 177.2° | 179.7° |
| C33 | N38 | C37 | C36 | 2.5° | 0.6° |
| N38 | C33 | C34 | H16 | 179.0° | 179.8° |
| C34 | C33 | N38 | C37 | 1.0° | 0.6° |
| C33 | C34 | C35 | H16 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 1.2° | 0.0° |
| C33 | C34 | C35 | H17 | 178.8° | 180.0° |
| N38 | C37 | C39 | C40 | 56.4° | 120.3° |
| N38 | C37 | C39 | C36 | 179.7° | 179.7° |
| N38 | C37 | C39 | C41 | 64.4° | 0.3° |
| N38 | C37 | C39 | O42 | 179.2° | 119.7° |
| N38 | C37 | C36 | C35 | 2.1° | 0.3° |
| N38 | C37 | C36 | H18 | 177.8° | 179.7° |
| C19 | C20 | N23 | C24 | 138.6° | 180.0° |
| C19 | C20 | N23 | C29 | 1.1° | 56.2° |
| C20 | C19 | C18 | H8 | 177.5° | 179.9° |
| C19 | C20 | C21 | H10 | 179.7° | 180.0° |
| C20 | N23 | C24 | C29 | 139.6° | 123.9° |
| C20 | N23 | C24 | C25 | 158.4° | 176.8° |
| C20 | N23 | C29 | C28 | 168.2° | 176.8° |
| N23 | C20 | C19 | H9 | 0.7° | 0.1° |
| N23 | C20 | C21 | H10 | 1.0° | 0.0° |
| C20 | N23 | C24 | H11 | 81.8° | 63.3° |
| C20 | N23 | C24 | H12 | 38.6° | 56.8° |
| C20 | N23 | C29 | H31 | 48.1° | 56.8° |
| C20 | N23 | C29 | H32 | 71.6° | 63.2° |
| C34 | C35 | C36 | C37 | 0.3° | 0.0° |
| C34 | C35 | C36 | H17 | 180.0° | 180.0° |
| C34 | C35 | C36 | H18 | 179.7° | 180.0° |
| C40 | C39 | C37 | C41 | 120.8° | 120.0° |
| C40 | C39 | C37 | O42 | 122.8° | 120.0° |
| C40 | C39 | C37 | C36 | 123.9° | 60.0° |
| C40 | C39 | C41 | O42 | 118.8° | 120.0° |
| C39 | C40 | H19 | H20 | 120.0° | 120.0° |
| C39 | C40 | H19 | H21 | 120.0° | 120.0° |
| C39 | C40 | H20 | H21 | 120.0° | 120.0° |
| C40 | C39 | O42 | H22 | 180.0° | 59.9° |
| C40 | C39 | C41 | H33 | 180.0° | 59.9° |
| C40 | C39 | C41 | H34 | 60.0° | 60.0° |
| C40 | C39 | C41 | H35 | 60.0° | 180.0° |
| C37 | C39 | C41 | O42 | 120.7° | 120.0° |
| C39 | C37 | C36 | C35 | 177.6° | 180.0° |
| C39 | C37 | C36 | H18 | 2.4° | 0.1° |
| C37 | C39 | C40 | H19 | 180.0° | 60.1° |
| C37 | C39 | C40 | H20 | 60.0° | 180.0° |
| C37 | C39 | C40 | H21 | 60.0° | 60.0° |
| C37 | C39 | O42 | H22 | 57.8° | 60.1° |
| C37 | C39 | C41 | H33 | 59.5° | 60.0° |
| C37 | C39 | C41 | H34 | 179.5° | 180.0° |
| C37 | C39 | C41 | H35 | 60.5° | 60.0° |
| C36 | C37 | C39 | C41 | 115.3° | 180.0° |
| C36 | C37 | C39 | O42 | 1.1° | 60.0° |
| C37 | C36 | C35 | H18 | 180.0° | 180.0° |
| C37 | C36 | C35 | H17 | 179.7° | 180.0° |
| N23 | C24 | C25 | H11 | 119.8° | 119.9° |
| N23 | C24 | C25 | H12 | 119.8° | 120.1° |
| C24 | N23 | C29 | C28 | 54.3° | 59.3° |
| N23 | C24 | C25 | N26 | 59.3° | 58.4° |
| N23 | C24 | H11 | H12 | 120.5° | 120.1° |
| N23 | C24 | C25 | H26 | 179.1° | 178.4° |
| N23 | C24 | C25 | H27 | 60.4° | 61.6° |
| C24 | N23 | C29 | H31 | 174.4° | 179.3° |
| C24 | N23 | C29 | H32 | 65.8° | 60.6° |
| C29 | N23 | C24 | C25 | 61.9° | 59.3° |
| N23 | C29 | C28 | H31 | 120.1° | 120.0° |
| N23 | C29 | C28 | H32 | 120.2° | 119.9° |
| N23 | C29 | C28 | N26 | 45.8° | 58.4° |
| C29 | N23 | C24 | H11 | 57.9° | 60.6° |
| C29 | N23 | C24 | H12 | 178.2° | 179.3° |
| N23 | C29 | C28 | H29 | 74.7° | 178.4° |
| N23 | C29 | C28 | H30 | 166.2° | 61.6° |
| N23 | C29 | H31 | H32 | 119.6° | 120.0° |
| C41 | C39 | C40 | H19 | 59.2° | 180.0° |
| C41 | C39 | C40 | H20 | 179.1° | 60.0° |
| C41 | C39 | C40 | H21 | 60.9° | 60.0° |
| C41 | C39 | O42 | H22 | 61.6° | 180.0° |
| C39 | C41 | H33 | H34 | 120.0° | 119.9° |
| C39 | C41 | H33 | H35 | 120.0° | 120.0° |
| C39 | C41 | H34 | H35 | 120.0° | 120.0° |
| O42 | C39 | C40 | H19 | 56.3° | 60.0° |
| O42 | C39 | C40 | H20 | 63.6° | 60.0° |
| O42 | C39 | C40 | H21 | 176.4° | 180.0° |
| O42 | C39 | C41 | H33 | 61.2° | 180.0° |
| O42 | C39 | C41 | H34 | 58.8° | 60.1° |
| O42 | C39 | C41 | H35 | 178.8° | 60.0° |
| C36 | C35 | C34 | H16 | 178.7° | 179.9° |
| C24 | C25 | N26 | H26 | 119.8° | 120.0° |
| C24 | C25 | N26 | H27 | 119.8° | 119.9° |
| C24 | C25 | N26 | C28 | 55.5° | 59.3° |
| C24 | C25 | N26 | C27 | 178.3° | 176.8° |
| C25 | C24 | H11 | H12 | 120.5° | 120.0° |
| C24 | C25 | H26 | H27 | 120.7° | 120.0° |
| C29 | C28 | N26 | C25 | 49.2° | 59.3° |
| C29 | C28 | N26 | H29 | 120.5° | 120.0° |
| C29 | C28 | N26 | H30 | 120.5° | 120.0° |
| C29 | C28 | N26 | C27 | 175.3° | 176.8° |
| C29 | C28 | H29 | H30 | 118.6° | 120.0° |
| C28 | C29 | H31 | H32 | 119.5° | 120.0° |
| C25 | N26 | C28 | C27 | 126.1° | 123.9° |
| N26 | C25 | C24 | H11 | 60.5° | 61.6° |
| N26 | C25 | C24 | H12 | 179.2° | 178.4° |
| C25 | N26 | C27 | H13 | 180.0° | 60.0° |
| C25 | N26 | C27 | H14 | 60.0° | 180.0° |
| C25 | N26 | C27 | H15 | 60.0° | 60.0° |
| N26 | C25 | H26 | H27 | 120.7° | 120.1° |
| C25 | N26 | C28 | H29 | 71.3° | 179.3° |
| C25 | N26 | C28 | H30 | 169.7° | 60.7° |
| C28 | N26 | C27 | H13 | 50.9° | 63.8° |
| C28 | N26 | C27 | H14 | 171.0° | 56.2° |
| C28 | N26 | C27 | H15 | 69.1° | 176.2° |
| C28 | N26 | C25 | H26 | 175.3° | 179.3° |
| C28 | N26 | C25 | H27 | 64.2° | 60.7° |
| N26 | C28 | H29 | H30 | 118.6° | 120.0° |
| N26 | C28 | C29 | H31 | 165.9° | 178.4° |
| N26 | C28 | C29 | H32 | 74.4° | 61.6° |
| N26 | C27 | H13 | H14 | 120.0° | 120.0° |
| N26 | C27 | H13 | H15 | 120.0° | 120.0° |
| N26 | C27 | H14 | H15 | 120.0° | 120.0° |
| C27 | N26 | C25 | H26 | 58.5° | 56.8° |
| C27 | N26 | C25 | H27 | 61.9° | 63.2° |
| C27 | N26 | C28 | H29 | 54.8° | 56.8° |
| C27 | N26 | C28 | H30 | 64.2° | 63.2° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C4 | C5 | H5 | 2.6° | 0.0° |
| H5 | C5 | C6 | H6 | 2.3° | 0.0° |
| H6 | C6 | C7 | H7 | 2.8° | 0.0° |
| H8 | C18 | C19 | H9 | 2.5° | 0.0° |
| H10 | C21 | C22 | H25 | 1.0° | 0.0° |
| H11 | C24 | C25 | H26 | 59.3° | 58.4° |
| H11 | C24 | C25 | H27 | 179.7° | 178.4° |
| H12 | C24 | C25 | H26 | 61.1° | 61.6° |
| H12 | C24 | C25 | H27 | 59.4° | 58.4° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
| H16 | C34 | C35 | H17 | 1.2° | 0.1° |
| H17 | C35 | C36 | H18 | 0.3° | 0.0° |
| H19 | C40 | H20 | H21 | 120.0° | 120.0° |
| H29 | C28 | C29 | H31 | 45.5° | 61.6° |
| H29 | C28 | C29 | H32 | 165.2° | 58.4° |
| H30 | C28 | C29 | H31 | 73.6° | 58.4° |
| H30 | C28 | C29 | H32 | 46.1° | 178.5° |
| H33 | C41 | H34 | H35 | 120.0° | 120.0° |
